SCHEMBL5354467

SCHEMBL5354467

CC(C)(C)OC(=O)Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)c(F)c2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
GSK3B P49841 2/20 0.35
MAPK14 Q16539 1/20 0.35
CDK9 P50750 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
MAPK10 P53779 5/20 0.34
DYRK1A Q13627 1/20 0.33
TGFBR1 P36897 1/20 0.33
DPP4 P27487 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
NR3C2 P08235 1/20 0.33
CSNK1D P48730 3/20 0.32
CSNK1E P49674 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
FLT4 P35916 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
CYP17A1 P05093 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5350912 0.92 NR3C2 (0.39) IRAK4MAPK14CDK9MAPK10RIPK3
SCHEMBL5346919 0.91 IRAK4 (0.39) IRAK4GSK3BMAPK14CDK9AAK1
SCHEMBL5350212 0.90 CDK9 (0.40) IRAK4CDK9MAPK10TGFBR1CSNK1D
SCHEMBL5360598 0.90 IRAK4 (0.37) IRAK4GSK3BCDK9AAK1MAPK10
SCHEMBL5349288 0.89 IRAK4 (0.40) IRAK4MAPK10TGFBR1CYP3A4CYP2D6
SCHEMBL5347508 0.87 MAPK10 (0.43) IRAK4MAPK14MAPK10CYP3A4CYP2D6
SCHEMBL5353292 0.85 IRAK4 (0.39) IRAK4GSK3BMAPK14CDK9AAK1
SCHEMBL5348556 0.84 NR3C2 (0.41) MAPK14MAPK10TGFBR1NR3C2CSNK1D
SCHEMBL5353942 0.81 MAPK10 (0.39) MAPK14MAPK10NR3C2CSNK1DCSNK1E
SCHEMBL5351806 0.81 MAPK14 (0.47) GSK3BMAPK14MAPK10CSNK1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 IRAK4 106/4885GSK3B 862/4885MAPK14 39/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.